N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

C28H29F3N6O4S — CID 66798886

IUPACN-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccnc1C(F)(F)F)CC2)C1CCN(c2ccnc(S(C)(=O)=O)n2)CC1
InChIInChI=1S/C28H29F3N6O4S/c1-36(19-10-14-37(15-11-19)23-9-13-33-27(35-23)42(2,40)41)26(39)18-6-5-17-7-8-22(21(17)16-18)34-25(38)20-4-3-12-32-24(20)28(29,30)31/h3-6,9,12-13,16,19,22H,7-8,10-11,14-15H2,1-2H3,(H,34,38)
InChIKeyPNFYUCOXWLSJGC-UHFFFAOYSA-N
MW602.64 g/mol
LogP3.45
Rot. Bonds6

About N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 66798886) has the molecular formula C28H29F3N6O4S and a molecular weight of 602.64 g/mol. Its IUPAC name is N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID66798886
Molecular FormulaC28H29F3N6O4S
Molecular Weight602.64 g/mol
Exact Mass602.19
IUPAC NameN-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccnc1C(F)(F)F)CC2)C1CCN(c2ccnc(S(C)(=O)=O)n2)CC1
InChIInChI=1S/C28H29F3N6O4S/c1-36(19-10-14-37(15-11-19)23-9-13-33-27(35-23)42(2,40)41)26(39)18-6-5-17-7-8-22(21(17)16-18)34-25(38)20-4-3-12-32-24(20)28(29,30)31/h3-6,9,12-13,16,19,22H,7-8,10-11,14-15H2,1-2H3,(H,34,38)
InChIKeyPNFYUCOXWLSJGC-UHFFFAOYSA-N
XLogP3.45
TPSA125.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.64
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 66798886) is N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccnc1C(F)(F)F)CC2)C1CCN(c2ccnc(S(C)(=O)=O)n2)CC1.
What is the InChIKey of N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PNFYUCOXWLSJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O4S/c1-36(19-10-14-37(15-11-19)23-9-13-33-27(35-23)42(2,40)41)26(39)18-6-5-17-7-8-22(21(17)16-18)34-25(38)20-4-3-12-32-24(20)28(29,30)31/h3-6,9,12-13,16,19,22H,7-8,10-11,14-15H2,1-2H3,(H,34,38).
What are the key properties of N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 602.64 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[methyl-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66798886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).